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Statistics of Data Reduction and Structure Refinement.

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https://figshare.com/articles/dataset/_Statistics_of_Data_Reduction_and_Structure_Refinement_/213823
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aData for the highest resolution bin is in parentheses. bRmerge = Σ|Ii−Im|/ΣIi, where Ii is the intensity of the measured reflection and Im is the mean intensity of all symmetry-related reflections. cRwork = Σ| |Fobs|−|Fcalc| |/Σ|Fobs|, where Fobs and Fcalc are observed and calculated structure factors, respectively. Rfree = ΣT| |Fobs|−|Fcalc| |/ΣT|Fobs|, where T denotes a test data set of about 5% of the total reflections randomly chosen and set aside prior to refinement. dRMSD = root-mean-square deviation.
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2012-11-14
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